[(1R)-1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol

C18H28O — CID 70692408

IUPAC[(1R)-1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESCc1ccc2c(c1CCC(C)C)CCC[C@@]2(C)CO
InChIInChI=1S/C18H28O/c1-13(2)7-9-15-14(3)8-10-17-16(15)6-5-11-18(17,4)12-19/h8,10,13,19H,5-7,9,11-12H2,1-4H3/t18-/m0/s1
InChIKeyDKAXYJLPBDVEHE-SFHVURJKSA-N
MW260.42 g/mol
LogP4.17
Rot. Bonds4

About [(1R)-1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol

[(1R)-1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol (PubChem CID 70692408) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is [(1R)-1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[(1R)-1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol
PubChem CID70692408
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name[(1R)-1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESCc1ccc2c(c1CCC(C)C)CCC[C@@]2(C)CO
InChIInChI=1S/C18H28O/c1-13(2)7-9-15-14(3)8-10-17-16(15)6-5-11-18(17,4)12-19/h8,10,13,19H,5-7,9,11-12H2,1-4H3/t18-/m0/s1
InChIKeyDKAXYJLPBDVEHE-SFHVURJKSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The IUPAC name of [(1R)-1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol (CID 70692408) is [(1R)-1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol.
What is the SMILES notation for [(1R)-1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The canonical SMILES for [(1R)-1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol is Cc1ccc2c(c1CCC(C)C)CCC[C@@]2(C)CO.
What is the InChIKey of [(1R)-1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The InChIKey is DKAXYJLPBDVEHE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28O/c1-13(2)7-9-15-14(3)8-10-17-16(15)6-5-11-18(17,4)12-19/h8,10,13,19H,5-7,9,11-12H2,1-4H3/t18-/m0/s1.
What are the key properties of [(1R)-1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
[(1R)-1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol has a molecular weight of 260.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1,6-dimethyl-5-(3-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol is sourced from PubChem (CID 70692408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).